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28158-60-3 | 5-amino-2-hydroxycyclohepta-2,4,6-trien-1-one- formaldehyde(1:1)
CAS No: 28158-60-3 Catalog No: AG007L8C MDL No:
Product Description
Catalog Number:
AG007L8C
Chemical Name:
5-amino-2-hydroxycyclohepta-2,4,6-trien-1-one- formaldehyde(1:1)
CAS Number:
28158-60-3
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
IUPAC Name:
5-amino-2-hydroxycyclohepta-2,4,6-trien-1-one;formaldehyde
InChI:
InChI=1S/C7H7NO2.CH2O/c8-5-1-3-6(9)7(10)4-2-5;1-2/h1-4H,8H2,(H,9,10);1H2
InChI Key:
SZOZMBZNPIRPIH-UHFFFAOYSA-N
SMILES:
Nc1ccc(=O)c(cc1)O.O=C
NSC Number:
83677
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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